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Patent code US10227299

Compile Data Set for Download or QSAR

Found 295 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367317
PNG
(Methyl (6RS)-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H19N3O3/c1-27-21(26)14-11-16-18(17(25)12-14)20(23-15-5-3-2-4-6-15)19(24-16)13-7-9-22-10-8-13/h2-10,14,23-24H,11-12H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367598
PNG
(US10227299, Example 288)
Show SMILES C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H21N3O/c1-2-6-15-13-18-20(19(26)14-15)22(24-17-7-4-3-5-8-17)21(25-18)16-9-11-23-12-10-16/h2-5,7-12,15,24-25H,1,6,13-14H2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367368
PNG
(N,N-Dimethyl-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H22N4O2/c1-26(2)22(28)15-12-17-19(18(27)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25H,12-13H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367367
PNG
(N-Methyl-4-oxo-3-(phenylamino)-N-propyl-2-(pyridin...)
Show SMILES CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C24H26N4O2/c1-3-13-28(2)24(30)17-14-19-21(20(29)15-17)23(26-18-7-5-4-6-8-18)22(27-19)16-9-11-25-12-10-16/h4-12,17,26-27H,3,13-15H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367593
PNG
(US10227299, Example 283)
Show SMILES CC(C)(O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O2/c1-22(2,27)15-12-17-19(18(26)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25,27H,12-13H2,1-2H3/t15-/s2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367372
PNG
((6RS)-6-[(Ethylsulfanyl)methyl]-3-(phenylamino)-2-...)
Show SMILES CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3OS/c1-2-27-14-15-12-18-20(19(26)13-15)22(24-17-6-4-3-5-7-17)21(25-18)16-8-10-23-11-9-16/h3-11,15,24-25H,2,12-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367371
PNG
((6RS)-3-(Phenylamino)-6-[(propan-2-ylsulfanyl)meth...)
Show SMILES CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C23H25N3OS/c1-15(2)28-14-16-12-19-21(20(27)13-16)23(25-18-6-4-3-5-7-18)22(26-19)17-8-10-24-11-9-17/h3-11,15-16,25-26H,12-14H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367412
PNG
((6RS)—N-Methyl-N-(2-methylpropyl)-4-oxo-3-(ph...)
Show SMILES CC(C)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C25H28N4O2/c1-16(2)15-29(3)25(31)18-13-20-22(21(30)14-18)24(27-19-7-5-4-6-8-19)23(28-20)17-9-11-26-12-10-17/h4-12,16,18,27-28H,13-15H2,1-3H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367472
PNG
(Methyl (6RS)-2-[3-(2-methoxyethoxy)pyridin-4-yl]-4...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)OC
Show InChI InChI=1/C24H25N3O5/c1-30-10-11-32-20-14-25-9-8-17(20)22-23(26-16-6-4-3-5-7-16)21-18(27-22)12-15(13-19(21)28)24(29)31-2/h3-9,14-15,26-27H,10-13H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367507
PNG
((6RS)-2-2-[(4-Fluorobenzoyl)amino]pyridin-4-yl-N,N...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1/C29H26FN5O3/c1-35(2)29(38)19-14-22-25(23(36)15-19)27(32-21-6-4-3-5-7-21)26(33-22)18-12-13-31-24(16-18)34-28(37)17-8-10-20(30)11-9-17/h3-13,16,19,32-33H,14-15H2,1-2H3,(H,31,34,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367592
PNG
(US10227299, Example 282)
Show SMILES CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O2/c1-22(2,27)15-12-17-19(18(26)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25,27H,12-13H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367349
PNG
((6RS)-6-Ethenyl-3-(phenylamino)-2-(pyridin-4-yl)-1...)
Show SMILES C=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H19N3O/c1-2-14-12-17-19(18(25)13-14)21(23-16-6-4-3-5-7-16)20(24-17)15-8-10-22-11-9-15/h2-11,14,23-24H,1,12-13H2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367590
PNG
(US10227299, Example 280)
Show SMILES CN(C)C(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1/C22H21FN4O2/c1-27(2)22(29)13-10-17-19(18(28)11-13)21(25-14-6-4-3-5-7-14)20(26-17)15-8-9-24-12-16(15)23/h3-9,12-13,25-26H,10-11H2,1-2H3/t13-/s2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367454
PNG
(Methyl (6RS)-2-2-[(4-fluorobenzoyl)amino]pyridin-4...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1/C28H23FN4O4/c1-37-28(36)18-13-21-24(22(34)14-18)26(31-20-5-3-2-4-6-20)25(32-21)17-11-12-30-23(15-17)33-27(35)16-7-9-19(29)10-8-16/h2-12,15,18,31-32H,13-14H2,1H3,(H,30,33,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367391
PNG
((6RS)-6-[(Ethylsulfonyl)methyl]-3-(phenylamino)-2-...)
Show SMILES CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O3S/c1-2-29(27,28)14-15-12-18-20(19(26)13-15)22(24-17-6-4-3-5-7-17)21(25-18)16-8-10-23-11-9-16/h3-11,15,24-25H,2,12-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367515
PNG
((6RS)-3-Anilino-N,N-dlisopropyl-4-oxo-2-(pyridin-4...)
Show SMILES CC(C)N(C(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C26H30N4O2/c1-16(2)30(17(3)4)26(32)19-14-21-23(22(31)15-19)25(28-20-8-6-5-7-9-20)24(29-21)18-10-12-27-13-11-18/h5-13,16-17,19,28-29H,14-15H2,1-4H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367509
PNG
((6RS)—N,N-Dimethyl-4-oxo-3-(phenylamino)-2-2-...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1
Show InChI InChI=1/C26H24N6O3S/c1-32(2)26(35)16-10-18-22(19(33)11-16)24(29-17-6-4-3-5-7-17)23(30-18)15-8-9-28-21(12-15)31-25(34)20-13-27-14-36-20/h3-9,12-14,16,29-30H,10-11H2,1-2H3,(H,28,31,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367597
PNG
(US10227299, Example 287)
Show SMILES CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1/C22H22FN3O2/c1-22(2,28)13-10-17-19(18(27)11-13)21(25-14-6-4-3-5-7-14)20(26-17)15-8-9-24-12-16(15)23/h3-9,12-13,25-26,28H,10-11H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367384
PNG
(N-(2-Hydroxyethyl)-N-methyl-4-oxo-3-(phenylamino)-...)
Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C23H24N4O3/c1-27(11-12-28)23(30)16-13-18-20(19(29)14-16)22(25-17-5-3-2-4-6-17)21(26-18)15-7-9-24-10-8-15/h2-10,16,25-26,28H,11-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367334
PNG
((6RS)—N,N-Dimethyl-4-oxo-3-(phenylamino)-2-(p...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H22N4O2/c1-26(2)22(28)15-12-17-19(18(27)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25H,12-13H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367357
PNG
(N-[(6RS)-4-Oxo-3-(phenylamino)-2-(pyridin-4-yl)-4,...)
Show SMILES CS(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H22N4O3S/c1-29(27,28)23-13-14-11-17-19(18(26)12-14)21(24-16-5-3-2-4-6-16)20(25-17)15-7-9-22-10-8-15/h2-10,14,23-25H,11-13H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367469
PNG
(Methyl (6RS)-3-anilino-2-[3-(cyclopropylmethoxy)py...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
Show InChI InChI=1/C25H25N3O4/c1-31-25(30)16-11-19-22(20(29)12-16)24(27-17-5-3-2-4-6-17)23(28-19)18-9-10-26-13-21(18)32-14-15-7-8-15/h2-6,9-10,13,15-16,27-28H,7-8,11-12,14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367386
PNG
((6RS)-2-(3-Fluoropyridin-4-yl)-N,N-dimethyl-4-oxo-...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1/C22H21FN4O2/c1-27(2)22(29)13-10-17-19(18(28)11-13)21(25-14-6-4-3-5-7-14)20(26-17)15-8-9-24-12-16(15)23/h3-9,12-13,25-26H,10-11H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367432
PNG
((6RS)—N,N-Diethyl-4-oxo-3-(phenylamino)-2-(py...)
Show SMILES CCN(CC)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C24H26N4O2/c1-3-28(4-2)24(30)17-14-19-21(20(29)15-17)23(26-18-8-6-5-7-9-18)22(27-19)16-10-12-25-13-11-16/h5-13,17,26-27H,3-4,14-15H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367463
PNG
(N-4-[(6RS)-6-(Azidomethyl)-4-oxo-3-(phenylamino)-4...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN=[N+]=[N-])CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1/C22H21N7O2/c1-13(30)26-19-11-15(7-8-24-19)21-22(27-16-5-3-2-4-6-16)20-17(28-21)9-14(10-18(20)31)12-25-29-23/h2-8,11,14,27-28H,9-10,12H2,1H3,(H,24,26,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367595
PNG
(US10227299, Example 285)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(C)(C)O
Show InChI InChI=1/C24H26N4O3/c1-14(29)26-20-11-15(9-10-25-20)22-23(27-17-7-5-4-6-8-17)21-18(28-22)12-16(13-19(21)30)24(2,3)31/h4-11,16,27-28,31H,12-13H2,1-3H3,(H,25,26,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367455
PNG
(Methyl (6RS)-4-oxo-3-(phenylamino)-2-2-[(1,3-thiaz...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1
Show InChI InChI=1/C25H21N5O4S/c1-34-25(33)15-9-17-21(18(31)10-15)23(28-16-5-3-2-4-6-16)22(29-17)14-7-8-27-20(11-14)30-24(32)19-12-26-13-35-19/h2-8,11-13,15,28-29H,9-10H2,1H3,(H,27,30,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367474
PNG
((6RS)-2-[3-(2-Methoxyethoxy)pyridin-4-yl]-N,N-dime...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C
Show InChI InChI=1/C25H28N4O4/c1-29(2)25(31)16-13-19-22(20(30)14-16)24(27-17-7-5-4-6-8-17)23(28-19)18-9-10-26-15-21(18)33-12-11-32-3/h4-10,15-16,27-28H,11-14H2,1-3H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367501
PNG
(N-4-[(6RS)-6-[(Ethylsulfanyl)methyl]-4-oxo-3-(phen...)
Show SMILES CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1/C24H26N4O2S/c1-3-31-14-16-11-19-22(20(30)12-16)24(27-18-7-5-4-6-8-18)23(28-19)17-9-10-25-21(13-17)26-15(2)29/h4-10,13,16,27-28H,3,11-12,14H2,1-2H3,(H,25,26,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367541
PNG
(N-4-[(6RS)-6-[(2-Methoxyethyl)sulfanyl]methyl-4-ox...)
Show SMILES COCCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1/C25H28N4O3S/c1-16(30)27-22-14-18(8-9-26-22)24-25(28-19-6-4-3-5-7-19)23-20(29-24)12-17(13-21(23)31)15-33-11-10-32-2/h3-9,14,17,28-29H,10-13,15H2,1-2H3,(H,26,27,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367327
PNG
((6RS)—N-Ethyl-N-methyl-4-oxo-3-(phenylamino)-...)
Show SMILES CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C23H24N4O2/c1-3-27(2)23(29)16-13-18-20(19(28)14-16)22(25-17-7-5-4-6-8-17)21(26-18)15-9-11-24-12-10-15/h4-12,16,25-26H,3,13-14H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367339
PNG
((6RS)-6-(Hydroxymethyl)-6-methyl-3-(phenylamino)-2...)
Show SMILES CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H21N3O2/c1-21(13-25)11-16-18(17(26)12-21)20(23-15-5-3-2-4-6-15)19(24-16)14-7-9-22-10-8-14/h2-10,23-25H,11-13H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367346
PNG
((6RS)-6-(Aminomethyl)-3-(phenylamino)-2-(pyridin-4...)
Show SMILES NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C20H20N4O/c21-12-13-10-16-18(17(25)11-13)20(23-15-4-2-1-3-5-15)19(24-16)14-6-8-22-9-7-14/h1-9,13,23-24H,10-12,21H2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367360
PNG
((4E/Z)-5-[(6RS)-Oxo-3-(phenylamino)-2-(pyridin-4-y...)
Show SMILES OC(=O)CCC=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C24H23N3O3/c28-20-15-16(6-4-5-9-21(29)30)14-19-22(20)24(26-18-7-2-1-3-8-18)23(27-19)17-10-12-25-13-11-17/h1-4,6-8,10-13,16,26-27H,5,9,14-15H2,(H,29,30)/b6-4+
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367502
PNG
(N-(4-(6RS)-Oxo-3-(phenylamino)-6-[(propan-2-ylsulf...)
Show SMILES CC(C)SCC1=NC(NC(C)=O)=C(Nc2ccccc2)C(=O)C1c1cc2CCCCc2[nH]1
Show InChI InChI=1/C25H30N4O2S/c1-15(2)32-14-21-22(20-13-17-9-7-8-12-19(17)28-20)24(31)23(25(29-21)26-16(3)30)27-18-10-5-4-6-11-18/h4-6,10-11,13,15,22,27-28H,7-9,12,14H2,1-3H3,(H,26,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367543
PNG
(N-(4-(6RS)-Oxo-3-(phenylamino)-6-[(1,3-thiazol-2-y...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3nccs3)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1/C25H23N5O2S2/c1-15(31)28-21-13-17(7-8-26-21)23-24(29-18-5-3-2-4-6-18)22-19(30-23)11-16(12-20(22)32)14-34-25-27-9-10-33-25/h2-10,13,16,29-30H,11-12,14H2,1H3,(H,26,28,31)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367388
PNG
((6RS)-2-(3-Fluoropyridin-4-yl)-N-(2-hydroxyethyl)-...)
Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1/C23H23FN4O3/c1-28(9-10-29)23(31)14-11-18-20(19(30)12-14)22(26-15-5-3-2-4-6-15)21(27-18)16-7-8-25-13-17(16)24/h2-8,13-14,26-27,29H,9-12H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367508
PNG
((6RS)-2-2-[(4-Fluorobenzoyl)amino]pyridin-4-yl-N-(...)
Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1/C30H28FN5O4/c1-36(13-14-37)30(40)20-15-23-26(24(38)16-20)28(33-22-5-3-2-4-6-22)27(34-23)19-11-12-32-25(17-19)35-29(39)18-7-9-21(31)10-8-18/h2-12,17,20,33-34,37H,13-16H2,1H3,(H,32,35,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367551
PNG
(N-4-[(6RS)-6-[(Ethylsulfonyl)methyl]-4-oxo-3-(phen...)
Show SMILES CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1/C24H26N4O4S/c1-3-33(31,32)14-16-11-19-22(20(30)12-16)24(27-18-7-5-4-6-8-18)23(28-19)17-9-10-25-21(13-17)26-15(2)29/h4-10,13,16,27-28H,3,11-12,14H2,1-2H3,(H,25,26,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367359
PNG
(Methyl (6RS)-2-[2-(acetylamino)pyridin-4-yl]-4-oxo...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1/C23H22N4O4/c1-13(28)25-19-12-14(8-9-24-19)21-22(26-16-6-4-3-5-7-16)20-17(27-21)10-15(11-18(20)29)23(30)31-2/h3-9,12,15,26-27H,10-11H2,1-2H3,(H,24,25,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367574
PNG
(N-{4-[(6RS)-3-Anilino-6-{[(2-methoxyethyl)sulfonyl...)
Show SMILES COCCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1/C25H28N4O5S/c1-16(30)27-22-14-18(8-9-26-22)24-25(28-19-6-4-3-5-7-19)23-20(29-24)12-17(13-21(23)31)15-35(32,33)11-10-34-2/h3-9,14,17,28-29H,10-13,15H2,1-2H3,(H,26,27,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367326
PNG
((6RS)—N-(2-Hydroxyethyl)-N-methyl-4-oxo-3-(ph...)
Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C23H24N4O3/c1-27(11-12-28)23(30)16-13-18-20(19(29)14-16)22(25-17-5-3-2-4-6-17)21(26-18)15-7-9-24-10-8-15/h2-10,16,25-26,28H,11-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367594
PNG
(US10227299, Example 284)
Show SMILES CC(C)(O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O2/c1-22(2,27)15-12-17-19(18(26)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25,27H,12-13H2,1-2H3/t15-/s2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367342
PNG
((6RS)-6-(Azidomethyl)-3-(phenylamino)-2-(pyridin-4...)
Show SMILES CS(=O)(=O)OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H21N3O4S/c1-29(26,27)28-13-14-11-17-19(18(25)12-14)21(23-16-5-3-2-4-6-16)20(24-17)15-7-9-22-10-8-15/h2-10,14,23-24H,11-13H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367468
PNG
(N-4-[(6RS)-6-(Aminomethyl)-4-oxo-3-(phenylamino)-4...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1/C22H23N5O2/c1-13(28)25-19-11-15(7-8-24-19)21-22(26-16-5-3-2-4-6-16)20-17(27-21)9-14(12-23)10-18(20)29/h2-8,11,14,26-27H,9-10,12,23H2,1H3,(H,24,25,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367586
PNG
(US10227299, Example 276)
Show SMILES COC(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1/C21H18FN3O3/c1-28-21(27)12-9-16-18(17(26)10-12)20(24-13-5-3-2-4-6-13)19(25-16)14-7-8-23-11-15(14)22/h2-8,11-12,24-25H,9-10H2,1H3/t12-/s2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367317
PNG
(Methyl (6RS)-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H19N3O3/c1-27-21(26)14-11-16-18(17(25)12-14)20(23-15-5-3-2-4-6-15)19(24-16)13-7-9-22-10-8-13/h2-10,14,23-24H,11-12H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367321
PNG
((6RS)-4-Oxo-3-(phenylamino)-2-(pyridin-4-yl)-4,5,6...)
Show SMILES NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C20H18N4O2/c21-20(26)13-10-15-17(16(25)11-13)19(23-14-4-2-1-3-5-14)18(24-15)12-6-8-22-9-7-12/h1-9,13,23-24H,10-11H2,(H2,21,26)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367600
PNG
(US10227299, Example 291)
Show SMILES C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
Show InChI InChI=1/C26H27N3O2/c1-2-6-18-13-21-24(22(30)14-18)26(28-19-7-4-3-5-8-19)25(29-21)20-11-12-27-15-23(20)31-16-17-9-10-17/h2-5,7-8,11-12,15,17-18,28-29H,1,6,9-10,13-14,16H2
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367596
PNG
(US10227299, Example 286)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(C)(C)O
Show InChI InChI=1/C25H28N4O3/c1-15(30)27-20-12-16(10-11-26-20)22-23(28-17-8-6-5-7-9-17)21-18(29-22)13-25(4,14-19(21)31)24(2,3)32/h5-12,28-29,32H,13-14H2,1-4H3,(H,26,27,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%